Basic information
- Standard SMILES
CC(C)N1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1- InChIKey
AYJADBTYEWKJOA-UHFFFAOYSA-N- Molecular formula
- C23H25IN4O2
- Average molar mass
- 516.4 g/mol
- Monoisotopic mass
- 516.10222
Names & identifiers
- IUPAC
- 6-iodo-4-[[4-(4-propan-2-ylpiperazin-1-yl)anilino]methylidene]isoquinoline-1,3-dione
Database identifiers
- PubChem CID
- 68698617
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Related reactions
1 records
Compound notes
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